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Hydrogen bonding: the role of hydrogen delocalization in the AHB bond

Authors: P. P. Schmidt;

Hydrogen bonding: the role of hydrogen delocalization in the AHB bond

Abstract

The behavior of the A-H...B multiple minimum hydrogen bond can be understood in terms of an analysis similar to the molecular orbital method in molecular electronic quantum theory. Delocalization of hydrogen about two or more wells is described in terms of a linear combination of Gaussian orbitals, each referred to a well minimum. The analysis yields an effective A-B potential mediated by hydrogen. The role of a model three-center interaction in the potential is found to be important and can account for much of the strength of the hydrogen bond

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citations
This is an alternative to the "Influence" indicator, which also reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
BIP!Citations provided by BIP!
popularity
This indicator reflects the "current" impact/attention (the "hype") of an article in the research community at large, based on the underlying citation network.
BIP!Popularity provided by BIP!
influence
This indicator reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
BIP!Influence provided by BIP!
impulse
This indicator reflects the initial momentum of an article directly after its publication, based on the underlying citation network.
BIP!Impulse provided by BIP!
7
Average
Average
Average
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